Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/165738
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ginex, Tiziana | - |
dc.contributor.author | Vázquez, Javier | - |
dc.contributor.author | Gibert, Enric | - |
dc.contributor.author | Herrero, Enric | - |
dc.contributor.author | Luque Garriga, F. Xavier | - |
dc.date.accessioned | 2020-06-16T06:49:25Z | - |
dc.date.available | 2020-06-16T06:49:25Z | - |
dc.date.issued | 2019-02-25 | - |
dc.identifier.issn | 1756-8919 | - |
dc.identifier.uri | http://hdl.handle.net/2445/165738 | - |
dc.description.abstract | The pharmacophore concept is a fundamental cornerstone in drug discovery, playing a critical role in determining the success of in silico techniques, such as virtual screening and 3D-QSAR studies. The reliability of these approaches is influenced by the quality of the physicochemical descriptors used to characterize the chemical entities. In this context, a pivotal role is exerted by lipophilicity, which is a major contribution to host-guest interaction and ligand binding affinity. Several approaches have been undertaken to account for the descriptive and predictive capabilities of lipophilicity in 3D-QSAR modeling. Recent efforts encode the use of quantum mechanical-based descriptors derived from continuum solvation models, which open novel avenues for gaining insight into structure-activity relationships studies. | - |
dc.format.extent | 17 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Future Science | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.4155/fmc-2018-0435 | - |
dc.relation.ispartof | Future Medicinal Chemistry, 2019, vol. 11, num. 10, p. 1177-1193 | - |
dc.relation.uri | https://doi.org/10.4155/fmc-2018-0435 | - |
dc.rights | (c) Future Science, 2019 | - |
dc.source | Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia) | - |
dc.subject.classification | Lipofília | - |
dc.subject.classification | Solvatació | - |
dc.subject.classification | Disseny de medicaments | - |
dc.subject.classification | Lligands (Bioquímica) | - |
dc.subject.classification | Relacions estructura-activitat (Bioquímica) | - |
dc.subject.other | Lipophilicity | - |
dc.subject.other | Solvation | - |
dc.subject.other | Drug design | - |
dc.subject.other | Ligands (Biochemistry) | - |
dc.subject.other | Structure-activity relationships (Biochemistry) | - |
dc.title | Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 687404 | - |
dc.date.updated | 2020-06-16T06:49:26Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Institut de Biomedicina (IBUB)) Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
687404.pdf | 4.78 MB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.